Compound Identification
SMILES
FC(F)SC1=CC=CC=C1C(=O)NC1=CN(CN2N=NC3=CC=CC=C23)N=C1
InChIKey
InChIKey=FLVSBDLLPNBJRJ-UHFFFAOYSA-N
Formula
C18H14F2N6OS
Mass
400.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Benzotriazoles Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Triazoles Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Benzotriazole - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Pyrazole - Triazole - 1,2,3-triazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Azacycle - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available